돼지 페로몬 성 냄새 분자들의 약물동력학적 특성과 ADMET 분석
(주)코리아스칼라
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- 2016.04.01
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서지정보
ㆍ발행기관 : 한국동물번식학회
ㆍ수록지정보 : Reproductive & developmental biology / 34권 / 3호
ㆍ저자명 : 최경섭, 박창식, 성낙도
목차
ABSTRACT 서론 재료 및 방법 결과 고찰 인용문헌
영어 초록
The 34 potently pig pheromonal odorants (1-32, 5755 & 7113) through structure-based virtual screening and ligand-based virtual screening method were selected and their ADMET and pharmacokinetics characters were evaluated and discussed quantitatively. The pheromonal odorants were projected on the following pre-calculated models, Caco-2 cell permeability, blood-brain barrier permeation, hERG inhibition and volume-distribution. From the results of in silico study, it is found that an optimal compound (31) either penetrating or have a little (Pcaco2=－8.143) for Caco-2 cell permeability, moderate penetrating ability (PBBB=0.082) for blood-brain barrier permeation, the low QT prolongation (PhERG=1.137) for the hERG K+ channel inhibition, and low distribution into tissues (PVD=－5.468) for volume-distribution. Therefore, it is predicted that the compound (31) a topical application may be preferable from these based foundings.
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